Basic information
- CAS
1088236-45-6- Standard SMILES
CC(=O)Nc1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(NC(C)=O)ccc3c2O)cc1- InChIKey
CECGUGFIJCQUOO-UHFFFAOYSA-N- Molecular formula
- C20H18N4O6S
- Average molar mass
- 442.4 g/mol
- Monoisotopic mass
- 442.09470548
Names & identifiers
- Preferred name
- 7-(Acetylamino)-3-((4-(acetylamino)phenyl)azo)-4-hydroxynaphthalene-2-sulphonic acid
- IUPAC
- 7-acetamido-3-[(4-acetamidophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
- English name
- 7-(acetylamino)-3-[[4-(acetylamino)phenyl]azo]-4-hydroxynaphthalene-2-sulphonic acid
- Molecular formula
- C20H18N4O6S
- Molecular weight
- 442.45
Names & synonyms
25317-48-0EINECS 246-828-87-(Acetylamino)-3-((4-(acetylamino)phenyl)azo)-4-hydroxynaphthalene-2-sulphonic acidDTXSID80863716CECGUGFIJCQUOO-UHFFFAOYSA-NDTXSID701043725NS000837767-Acetamido-3-[(4-acetamidophenyl)diazenyl]-4-hydroxy-2-naphthalenesulfonic acid7-Acetamido-3-[(4-acetamidophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonic acid7-Acetamido-3-[(E)-(4-acetamidophenyl)diazenyl]-4-hydroxy-2-naphthalenesulfonic acid1088236-45-67-(Acetylamino)-3-[[4-(acetylamino)phenyl]azo]-4-hydroxy-2-naphthalenesulfonic acid
Show more names
7-(acetylamino)-3-[[4-(acetylamino)phenyl]azo]-4-hydroxynaphthalene-2-sulphonic acid2-Naphthalenesulfonic acid, 7-(acetylamino)-3-[2-[4-(acetylamino)phenyl]diazenyl]-4-hydroxy-
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 790
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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